2,5-dichloro-3-(dihydroxyamino)benzoate

C7H4Cl2NO4- — CID 163181517

IUPAC2,5-dichloro-3-(dihydroxyamino)benzoate
SMILESO=C([O-])c1cc(Cl)cc(N(O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2,13-14H,(H,11,12)/p-1
InChIKeyDQDRTOAYEWHCFR-UHFFFAOYSA-M
MW237.02 g/mol
LogP0.94
Rot. Bonds2

About 2,5-dichloro-3-(dihydroxyamino)benzoate

2,5-dichloro-3-(dihydroxyamino)benzoate (PubChem CID 163181517) has the molecular formula C7H4Cl2NO4- and a molecular weight of 237.02 g/mol. Its IUPAC name is 2,5-dichloro-3-(dihydroxyamino)benzoate.

Molecular Properties

Compound Name2,5-dichloro-3-(dihydroxyamino)benzoate
PubChem CID163181517
Molecular FormulaC7H4Cl2NO4-
Molecular Weight237.02 g/mol
Exact Mass235.95
IUPAC Name2,5-dichloro-3-(dihydroxyamino)benzoate
SMILESO=C([O-])c1cc(Cl)cc(N(O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2,13-14H,(H,11,12)/p-1
InChIKeyDQDRTOAYEWHCFR-UHFFFAOYSA-M
XLogP0.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dichloro-3-(dihydroxyamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;3,5-dichlorophthalate
CID 101143275
2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate
CID 163148912
sodium 2-chloro-3,5-difluorobenzoate
CID 170998565
5-chloro-2-methoxybenzoate
CID 6933314
2-amino-3-(dihydroxyamino)benzoate
CID 53409030
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
CID 10728138
hexane;oxolane;bis(ruthenium(2+));tetrakis(2,3,5-trichlorobenzoate)
CID 139166054
calcium 3,4,5,6-tetrachlorophthalate
CID 22119341
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
CID 59068111
1-(2,5-dichloro-3-nitrophenyl)ethanone
CID 10036984
azanium 2-amino-4-chlorobenzoate
CID 23030471

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(dihydroxyamino)benzoate?
The IUPAC name of 2,5-dichloro-3-(dihydroxyamino)benzoate (CID 163181517) is 2,5-dichloro-3-(dihydroxyamino)benzoate.
What is the SMILES notation for 2,5-dichloro-3-(dihydroxyamino)benzoate?
The canonical SMILES for 2,5-dichloro-3-(dihydroxyamino)benzoate is O=C([O-])c1cc(Cl)cc(N(O)O)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(dihydroxyamino)benzoate?
The InChIKey is DQDRTOAYEWHCFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2,13-14H,(H,11,12)/p-1.
What are the key properties of 2,5-dichloro-3-(dihydroxyamino)benzoate?
2,5-dichloro-3-(dihydroxyamino)benzoate has a molecular weight of 237.02 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(dihydroxyamino)benzoate is sourced from PubChem (CID 163181517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).